2-[3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoic acid methyl ester

CAS: 149968-11-6

Ref. 3D-FC20041

Product Information

• Name: 2-[3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoic acid methyl ester
• Synonyms: Methyl (E)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate, 2-(3-(2-(7-Chloro-2-Quinolinyl)-Ethenyl-Phenyl)-3-Oxo-Propyl)-1-Methoxycarbonylbenzene, Benzoic acid, 2-[3-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]-, methyl ester, Benzoic acid, 2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]-, methyl ester, (E)-, Benzonic acid 2-(3-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-(3-carbonyl)propyl)-methyl ester, Methyl (E)-2-[3-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate

Description

2-[3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoic acid methyl ester is a five-membered ring compound. It has organic solvents that can be screened for biological activity using high throughput screening. This compound is insoluble in water and reacts with bases, acids, and other compounds to form salts, benzoates, or crystallizing solids. The molecular conformation of this compound was determined by bioinformatics methods. It is a member of the class of 7-chloroquinoline derivatives that have been shown to inhibit Singulair (montelukast), an asthma drug. These agents are thought to bind to the active site of the enzyme cytochrome P450 and may also inhibit its ability to metabolize drugs such as acetaminophen and phenytoin.

• Brand: Biosynth

Chemical properties

• Molecular weight: 455.93 g/mol
• Formula: C₂₈H₂₂ClNO₃
• Purity: Min. 95%
• InChI: InChI=1S/C28H22ClNO3/c1-33-28(32)25-8-3-2-6-20(25)12-16-27(31)22-7-4-5-19(17-22)9-14-24-15-11-21-10-13-23(29)18-26(21)30-24/h2-11,13-15,17-18H,12,16H2,1H3/b14-9+
• InChI key: InChIKey=INXATVZSQVIIHJ-NTEUORMPSA-N
• SMILES: COC(=O)c1ccccc1CCC(=O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1